Molecule

ID:128336

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₂
Molecular Mass
238.28116
Exact Mass
238.09937969
Charge
0
InChI
InChI=1S/C16H14O2/c1-12-4-2-6-14(10-12)16(18)9-8-13-5-3-7-15(17)11-13/h2-11,17H,1H3
InChIKey
GPJXEEMHEDUKIP-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)/C=C/C(=O)c1cccc(c1)C
Isomeric Smiles
Cc1cccc(c1)C(=O)/C=C/c1cc(ccc1)O
Calculated Properties
JChem
Acid pKa
9.405767
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.1001277
LogD (pH = 7.4)
4.095942
Log P
4.1001816
Molar Refractivity
73.8991
Polarizability
27.722212
Polar Surface Area
37.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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